5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one

C18H18O4 — CID 66762480

IUPAC5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one
SMILESCOc1c(C)c(O)c2c(c1C)OC(c1ccccc1)C(=O)C2
InChIInChI=1S/C18H18O4/c1-10-15(20)13-9-14(19)18(12-7-5-4-6-8-12)22-17(13)11(2)16(10)21-3/h4-8,18,20H,9H2,1-3H3
InChIKeyKXNWTMADLBYFCK-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.26
Rot. Bonds2

About 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one

5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one (PubChem CID 66762480) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one
PubChem CID66762480
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one
SMILESCOc1c(C)c(O)c2c(c1C)OC(c1ccccc1)C(=O)C2
InChIInChI=1S/C18H18O4/c1-10-15(20)13-9-14(19)18(12-7-5-4-6-8-12)22-17(13)11(2)16(10)21-3/h4-8,18,20H,9H2,1-3H3
InChIKeyKXNWTMADLBYFCK-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one?
The IUPAC name of 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one (CID 66762480) is 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one?
The canonical SMILES for 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one is COc1c(C)c(O)c2c(c1C)OC(c1ccccc1)C(=O)C2.
What is the InChIKey of 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one?
The InChIKey is KXNWTMADLBYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-10-15(20)13-9-14(19)18(12-7-5-4-6-8-12)22-17(13)11(2)16(10)21-3/h4-8,18,20H,9H2,1-3H3.
What are the key properties of 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one?
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one has a molecular weight of 298.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one is sourced from PubChem (CID 66762480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).